SCHEMBL2109381

SCHEMBL2109381

C=CCO[C@H](C/C=N/O)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
TACR1 P25103 2/20 0.35
TEAD3 Q99594 1/20 0.35
SLC1A1 P43005 1/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.34
FOLH1 Q04609 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2109384 1.00 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL2622832 1.00 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL16433656 1.00 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL2109388 1.00 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL1934779 0.90 TDP1 (0.40) CA1CA2CA7CA9HTT
SCHEMBL1934778 0.90 TDP1 (0.40) CA1CA2CA7CA9HTT
SCHEMBL14739550 0.86 CA1 (0.45) CA1CA2CA7CA9HTT
SCHEMBL2109601 0.82 TDP1 (0.44) CA1CA2CA7CA9HTT
SCHEMBL2622825 0.82 TDP1 (0.44) CA1CA2CA7CA9HTT
SCHEMBL2109597 0.82 TDP1 (0.44) CA1CA2CA7CA9HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
CN-101910143-B Fused Aminodihydrothiazine Derivatives EISAI R&D MAN CO LTD 2013-08-21 CN disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
CN-101910143-A Fused Aminodihydrothiazine Derivatives EISAI R&D MAN CO LTD 2010-12-08 CN disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 CA1 1040/4885CA2 3520/4885CA7 3946/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 CA1 1040/4885CA2 3520/4885CA7 3946/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 CA1 1040/4885CA2 3520/4885CA7 3946/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 CA1 565/4885CA2 2806/4885CA7 3316/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.